mordred.descriptorsΒΆ
All descriptor modules are loaded.
>>> from mordred import Calculator, descriptors
>>> descriptors.ABCIndex # ABCIndex module
<module 'mordred.ABCIndex' from '/path/to/ABCIndex.py'>
>>> descriptors.all # all descriptor modules
(<module 'mordred.ABCIndex' from '/path/to/ABCIndex.py'>,
<module 'mordred.AcidBase' from '/path/to/AcidBase.py'>,
...
)
>>> calc = Calculator(descriptors) # all descriptors